PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cyclohexanecarbonitrile
528 Cyclohexanecarbonitrile
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ΔHf: -0.9 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
PM7
Cyclohexanecarbonitrile
H=-0.85 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.54267890 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.52397959 +1 89.5825304 +1 0.0000000 +0 2 1 0
C 1.53435569 +1 90.1618648 +1 -0.7548080 +1 3 2 1
C 1.53213785 +1 110.7365162 +1 -28.6599461 +1 4 3 2
C 1.45000529 +1 109.7634188 +1 150.7280147 +1 1 2 3
N 1.15671229 +1 143.5909068 +1 179.9902895 +1 6 2 1
H 1.12496692 +1 108.7396667 +1 119.7066193 +1 1 2 6
H 1.10690638 +1 110.1191352 +1 -92.8255200 +1 2 1 3
H 1.10598723 +1 110.2345261 +1 -116.6711908 +1 2 1 9
H 1.10601647 +1 93.2768355 +1 -109.9974732 +1 3 2 4
H 1.10576963 +1 144.5239677 +1 -123.7156706 +1 3 2 11
H 1.10621846 +1 110.0334427 +1 -121.7599410 +1 4 3 5
H 1.10637111 +1 109.9924982 +1 -116.1682022 +1 4 3 13
H 1.10595700 +1 110.3435064 +1 179.3233925 +1 5 4 3
H 1.10682019 +1 110.1620229 +1 116.8438121 +1 5 4 15
C 1.53238782 +1 109.9269976 +1 -121.8815125 +1 2 1 10
H 1.10633310 +1 109.8946364 +1 -179.2112137 +1 17 2 1
H 1.10632698 +1 110.2169947 +1 -116.3028211 +1 17 2 18